CAS RN: 1003858-71-6
1H-Indol-5-aMine, 4-ethyl-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250202 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1003858-71-6
- Purity/Analytical Methods: >99.0%
1003858-71-6 / 4-ethyl-1H-indol-5-amine
1H-Indol-5-amine, 4-ethyl- | 4-ethyl-1H-indol-5-amine | 1h-indol-5-amine,4-ethyl-
Basic Information
CAS
1003858-71-6
Multi CAS
No
Molecular Formula
C10H12N2
Molecular Weight
160.220000
Exact Mass
160.100048
SMILES
CCC1=C(C=CC2=C1C=CN2)N
InChI
InChI=1S/C10H12N2/c1-2-7-8-5-6-12-10(8)4-3-9(7)11/h3-6,12H,2,11H2,1H3
InChIKey
ACUVBIOHALDWQL-UHFFFAOYSA-N
Synonyms
1H-Indol-5-amine, 4-ethyl-
4-ethyl-1H-indol-5-amine
1h-indol-5-amine,4-ethyl-
5-amino-4-ethylindole
4-Ethyl-1H-indol-5-ylamine
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
52.09
TPSA
41.81
LogP / Solubility
WLOGP
2.31
MLOGP
2.03
XLogP3
2.2
Consensus LogP
2.18
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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